SCHEMBL10697944

SCHEMBL10697944

CCCN1CCC(C(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KCNH2 Q12809 1/20 0.43
EPHX1 P07099 2/20 0.42
EPHX2 P34913 2/20 0.42
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM2B Q8NHM5 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26221601 0.89 SMN1; SMN2 (0.56) SMN1; SMN2KCNH2MEN1KMT2A
SCHEMBL13599987 0.88 KDM2B (0.47) SMN1; SMN2KDM2B
SCHEMBL10079962 0.88 KCNH2 (0.51) SMN1; SMN2KCNH2EPHX1EPHX2GNAI3
SCHEMBL28272527 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KCNH2EPHX1EPHX2GNAI3
SCHEMBL17002065 0.85 KCNH2 (0.60) KCNH2GNAI3GNAO1GNAI1
SCHEMBL13136026 0.83 SMN1; SMN2 (0.42) SMN1; SMN2KCNH2GNAI3GNAO1GNAI1
SCHEMBL458560 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KCNH2EPHX1EPHX2GNAI3
SCHEMBL12156678 0.83 SMN1; SMN2 (0.67) SMN1; SMN2EPHX1EPHX2L3MBTL1KMT2A
SCHEMBL23936834 0.82 GNAI3 (0.51) SMN1; SMN2KCNH2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL5065549 0.82 SMN1; SMN2 (0.64) SMN1; SMN2KCNH2EPHX1EPHX2GNAI3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 US disclosed
WO-2020167518-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-08-20 WO disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND AR, GPER1, CRBN SMN1; SMN2 2044/4885KCNH2 4849/4885EPHX1 3664/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 SMN1; SMN2 4533/4885KCNH2 856/4885EPHX1 2949/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885KCNH2 837/4885EPHX1 1817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.